3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid

C8H12ClN3O4S — CID 106139039

IUPAC3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(CNS(=O)(=O)c1c(Cl)cnn1C)C(=O)O
InChIInChI=1S/C8H12ClN3O4S/c1-5(8(13)14)3-11-17(15,16)7-6(9)4-10-12(7)2/h4-5,11H,3H2,1-2H3,(H,13,14)
InChIKeyJOTFJEHNAGMKTI-UHFFFAOYSA-N
MW281.72 g/mol
LogP0.07
Rot. Bonds5

About 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid

3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 106139039) has the molecular formula C8H12ClN3O4S and a molecular weight of 281.72 g/mol. Its IUPAC name is 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid
PubChem CID106139039
Molecular FormulaC8H12ClN3O4S
Molecular Weight281.72 g/mol
Exact Mass281.02
IUPAC Name3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(CNS(=O)(=O)c1c(Cl)cnn1C)C(=O)O
InChIInChI=1S/C8H12ClN3O4S/c1-5(8(13)14)3-11-17(15,16)7-6(9)4-10-12(7)2/h4-5,11H,3H2,1-2H3,(H,13,14)
InChIKeyJOTFJEHNAGMKTI-UHFFFAOYSA-N
XLogP0.07
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 106314161
3-[Methyl-[2-methyl-4-(trifluoromethyl)pyrazol-3-yl]sulfonylamino]propanoic acid
CID 136556839
3-[(1-Methylpyrazol-4-yl)sulfonylamino]propanoic acid
CID 43172775
3-[4-(Propylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513474
3-[4-(2-Methylpropylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513505
3-[4-(Ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
2-Methyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]propanoic acid
CID 62676052
3-[(2-Methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709490
2-Methyl-3-[methyl-(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709586
2-Methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709602
2-[[(2-Methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid
CID 104709664
2,2-Dimethyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
CID 104709733

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid (CID 106139039) is 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid is CC(CNS(=O)(=O)c1c(Cl)cnn1C)C(=O)O.
What is the InChIKey of 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is JOTFJEHNAGMKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O4S/c1-5(8(13)14)3-11-17(15,16)7-6(9)4-10-12(7)2/h4-5,11H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid?
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 281.72 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 106139039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).